N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO3S2 — CID 967259

IUPACN-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-3-19-13-6-4-12(5-7-13)16-21(17,18)15-10-8-14(20-2)9-11-15/h4-11,16H,3H2,1-2H3
InChIKeyLVOROODZGSJCJA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.61
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide

N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 967259) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID967259
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C15H17NO3S2/c1-3-19-13-6-4-12(5-7-13)16-21(17,18)15-10-8-14(20-2)9-11-15/h4-11,16H,3H2,1-2H3
InChIKeyLVOROODZGSJCJA-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide (CID 967259) is N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is LVOROODZGSJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-3-19-13-6-4-12(5-7-13)16-21(17,18)15-10-8-14(20-2)9-11-15/h4-11,16H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).